Geometry & MOs

Info

ID:	274150
PubChem CID:	103807350
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	433.87584
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	5.08
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dibromothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)NC2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations